SCHEMBL7630008

SCHEMBL7630008

Cc1ccccc1[Al-](c1ccccc1C)(c1ccccc1C)c1ccccc1C.c1ccc[cH+]cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
ACHE P22303 3/20 0.38
TSHR P16473 2/20 0.38
MYC P01106 1/20 0.33
ALDH1A1 P00352 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9247778 0.83 TSHR (0.53) HSD17B10ACHETSHRALDH1A1CA1
Lithium Ion SCHEMBL7630172 0.81 TSHR (0.50) HSD17B10ACHETSHRALDH1A1CA1
Silver SCHEMBL7630794 0.81 TSHR (0.50) HSD17B10ACHETSHRALDH1A1CA1
SCHEMBL538774 0.78 TDP1 (0.34) ACHETSHRALDH1A1LMNACYP3A4
SCHEMBL7627884 0.70 ACHE (0.38) ACHETSHRMYCALDH1A1CA1
SCHEMBL7621574 0.69
SCHEMBL538776 0.67 ACHE (0.38) ACHETSHRALDH1A1CA1CA2
SCHEMBL7622792 0.64 TSHR (0.48) HSD17B10ACHETSHRALDH1A1CA1
O-Xylene SCHEMBL3640206 0.63 TSHR (0.91) HSD17B10ACHETSHRALDH1A1CA1
O-Xylene SCHEMBL17318270 0.63 TSHR (0.91) HSD17B10ACHETSHRALDH1A1CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755971-B1 Molding resin, composition containing the same, and processes for producing them TOSOH CORP (JP) 2002-03-06 EP disclosed
US-5962599-A ETHYLENE-HEXENE COPOLYMER TOSOH CORPORATION (JP) 1999-10-05 US disclosed
EP-0755971-A2 Molding resin, composition containing the same, and processes for producing them Tosoh Corporation (JP) 1997-01-29 EP disclosed